Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/6-311+G(3df,2p)
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1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.384 | 0.075 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CNF | iso cyanogen fluoride | 1.290 |
Highest value | FNO | Nitrosyl fluoride | 1.554 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 1.554 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.290 | 2 | 3 |
NHF2 | difluoramine | 1.383 | 1 | 3 |
1.383 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.360 | 1 | 2 |
1.360 | 1 | 3 | ||
1.360 | 1 | 4 |